Information card for entry 4074036

Structure parameters

• Formula: C35 H52 B F4 Fe N P Rh
• Calculated formula: C35 H52 B F4 Fe N P Rh
• SMILES: [Rh]1234([P]([c]56[c]78[Fe]9%10%11%12%13%145([cH]([c]8%10cccc7)[c]69[N]1(C)C)[c]1([c]%14([c]%13([c]%12([c]%111C)C)C)C)C)(C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: New Racemic Planar-Chiral Metalloligands Derived from Donor-Substituted Indenes: A Synthetic, Structural, and Catalytic Investigation
• Authors of publication: Wechsler, Dominik; Rankin, Matthew A.; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6418
• a: 11.452 ± 0.0003 Å
• b: 14.895 ± 0.0004 Å
• c: 19.789 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3375.56 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No